1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

C17H33N3O2 — CID 111630932

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
SMILESCC(C)N1CCCC(CNC(=O)NC2CCCCC2CO)C1
InChIInChI=1S/C17H33N3O2/c1-13(2)20-9-5-6-14(11-20)10-18-17(22)19-16-8-4-3-7-15(16)12-21/h13-16,21H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyAABOYCBNSXMASM-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea (PubChem CID 111630932) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
PubChem CID111630932
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
SMILESCC(C)N1CCCC(CNC(=O)NC2CCCCC2CO)C1
InChIInChI=1S/C17H33N3O2/c1-13(2)20-9-5-6-14(11-20)10-18-17(22)19-16-8-4-3-7-15(16)12-21/h13-16,21H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyAABOYCBNSXMASM-UHFFFAOYSA-N
XLogP1.96
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea with MolForge

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Related Compounds

(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95598578
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
CID 91920868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea (CID 111630932) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea is CC(C)N1CCCC(CNC(=O)NC2CCCCC2CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
The InChIKey is AABOYCBNSXMASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13(2)20-9-5-6-14(11-20)10-18-17(22)19-16-8-4-3-7-15(16)12-21/h13-16,21H,3-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea has a molecular weight of 311.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 111630932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).